Binding information for 3hhu_ligand_1_0.mol2(FDBF00906)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3hhu_ligand_1_0.mol2 | 3hhu | 1 | -5.28 | CCOC(=O)N | 6 |
Structure and binding mode of 3hhu_ligand_1_0.mol2(FDBF00906)
Important binding residues for 3hhu_ligand_1_0.mol2(FDBF00906)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3hhu | THR109 | 0.97 | -2.31 | -1.34 | 0.69 | -0.65 |
| 3hhu | ILE110 | -0.98 | -2.02 | -3 | 0.81 | -2.19 |
| 3hhu | GLY135 | -0.74 | -1.04 | -1.78 | 0.88 | -0.90 |
